N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine

C10H18N2S2 — CID 79774133

IUPACN-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSCCC)s1
InChIInChI=1S/C10H18N2S2/c1-3-5-11-10-12-7-9(14-10)8-13-6-4-2/h7H,3-6,8H2,1-2H3,(H,11,12)
InChIKeyGZVVJHXZNLSXEW-UHFFFAOYSA-N
MW230.40 g/mol
LogP3.61
Rot. Bonds7

About N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine

N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 79774133) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID79774133
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC NameN-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSCCC)s1
InChIInChI=1S/C10H18N2S2/c1-3-5-11-10-12-7-9(14-10)8-13-6-4-2/h7H,3-6,8H2,1-2H3,(H,11,12)
InChIKeyGZVVJHXZNLSXEW-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine (CID 79774133) is N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine is CCCNc1ncc(CSCCC)s1.
What is the InChIKey of N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is GZVVJHXZNLSXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-3-5-11-10-12-7-9(14-10)8-13-6-4-2/h7H,3-6,8H2,1-2H3,(H,11,12).
What are the key properties of N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine?
N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 230.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).